In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2010 | 27 | Yes |
Popular Name: 1-(2,4-dimethylphenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea 1-(2,4-dimethylphenyl)-3-[2-[4-(…
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Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.05 | 7.5 | -11.84 | 2 | 5 | 0 | 48 | 370.472 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.05 | 9.72 | -53.4 | 3 | 5 | 1 | 49 | 371.48 | 5 | ↓ |
Popular Name: 1-(4-fluorophenyl)-1-[2-(o-tolylcarbamoylamino)ethyl]-3-(p-tolyl)urea 1-(4-fluorophenyl)-1-[2-(o-tolyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.53 | -0.96 | -18.75 | 3 | 6 | 0 | 73 | 420.488 | 6 | ↓ |
Popular Name: 1-[2-[(2,6-dimethylphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)-3-(p-tolyl)urea 1-[2-[(2,6-dimethylphenyl)carbam…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.00 | 11.55 | -18.17 | 3 | 6 | 0 | 73 | 434.515 | 6 | ↓ |